2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone

C19H21F3N4O2 — CID 53041288

IUPAC2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESO=C(c1cnn2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc12)N1CCCC1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)18(28)25-8-3-13(4-9-25)14-5-10-26-16(11-14)15(12-23-26)17(27)24-6-1-2-7-24/h5,10-13H,1-4,6-9H2
InChIKeyVFWTUAYLVYWWNO-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.84
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 53041288) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
PubChem CID53041288
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
SMILESO=C(c1cnn2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc12)N1CCCC1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)18(28)25-8-3-13(4-9-25)14-5-10-26-16(11-14)15(12-23-26)17(27)24-6-1-2-7-24/h5,10-13H,1-4,6-9H2
InChIKeyVFWTUAYLVYWWNO-UHFFFAOYSA-N
XLogP2.84
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone (CID 53041288) is 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone is O=C(c1cnn2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc12)N1CCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is VFWTUAYLVYWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)18(28)25-8-3-13(4-9-25)14-5-10-26-16(11-14)15(12-23-26)17(27)24-6-1-2-7-24/h5,10-13H,1-4,6-9H2.
What are the key properties of 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 394.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53041288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).